(5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

C15H16N2O3S2 — CID 1210787

IUPAC(5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccsc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C15H16N2O3S2/c1-10-4-7-21-11(10)8-12-14(19)17(15(20)22-12)9-13(18)16-5-2-3-6-16/h4,7-8H,2-3,5-6,9H2,1H3/b12-8+
InChIKeyFTGFWKZCCILGQI-XYOKQWHBSA-N
MW336.44 g/mol
LogP2.72
Rot. Bonds3

About (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

(5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 1210787) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
PubChem CID1210787
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name(5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccsc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C15H16N2O3S2/c1-10-4-7-21-11(10)8-12-14(19)17(15(20)22-12)9-13(18)16-5-2-3-6-16/h4,7-8H,2-3,5-6,9H2,1H3/b12-8+
InChIKeyFTGFWKZCCILGQI-XYOKQWHBSA-N
XLogP2.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione (CID 1210787) is (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is Cc1ccsc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O.
What is the InChIKey of (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is FTGFWKZCCILGQI-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-10-4-7-21-11(10)8-12-14(19)17(15(20)22-12)9-13(18)16-5-2-3-6-16/h4,7-8H,2-3,5-6,9H2,1H3/b12-8+.
What are the key properties of (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione?
(5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 336.44 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1210787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).